methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate

C17H15BrN2O3 — CID 59023809

IUPACmethyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cn(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C17H15BrN2O3/c1-22-14-5-3-11(4-6-14)9-20-10-12-7-13(18)8-15(16(12)19-20)17(21)23-2/h3-8,10H,9H2,1-2H3
InChIKeyFVOYMOANYGEIAO-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.64
Rot. Bonds4

About methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate

methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate (PubChem CID 59023809) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
PubChem CID59023809
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Namemethyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(Br)cc2cn(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C17H15BrN2O3/c1-22-14-5-3-11(4-6-14)9-20-10-12-7-13(18)8-15(16(12)19-20)17(21)23-2/h3-8,10H,9H2,1-2H3
InChIKeyFVOYMOANYGEIAO-UHFFFAOYSA-N
XLogP3.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-3-[(4-methoxyphenyl)methyl]-2H-indazole-7-carboxylate
CID 90985719
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
methyl 2-[(3,5-dimethoxyphenyl)methyl]indazole-6-carboxylate
CID 169188076
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]-5-methyl-4H-indazole-7-carboxylate
CID 143557460
1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone;1-(5-bromo-1H-pyrazol-4-yl)ethanone
CID 161497882
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19394721
1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668568
1-[(4-bromophenyl)methyl]-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]pyrazole-3-carboxamide
CID 40822119

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate?
The IUPAC name of methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate (CID 59023809) is methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate?
The canonical SMILES for methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate is COC(=O)c1cc(Br)cc2cn(Cc3ccc(OC)cc3)nc12.
What is the InChIKey of methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate?
The InChIKey is FVOYMOANYGEIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-14-5-3-11(4-6-14)9-20-10-12-7-13(18)8-15(16(12)19-20)17(21)23-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate?
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate has a molecular weight of 375.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate is sourced from PubChem (CID 59023809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).